N-[2-[(2-nitrophenyl)amino]ethyl]-4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide

Systemtic Name: N-[2-[(2-nitrophenyl)amino]ethyl]-4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide Openeye Name: N-[2-(2-nitroanilino)ethyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide CAS Name: N-[2-(2-nitroanilino)ethyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide IUPAC Name: N-[2-(2-nitroanilino)ethyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide Traditional Name: 4-keto-N-[2-(2-nitroanilino)ethyl]-4-(3-phenyl-2-pyrazolin-1-yl)butyramide Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N=C1C2=CC=CC=C2)C(=O)CCC(=O)NCCNC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(N=C1C2=CC=CC=C2)C(=O)CCC(=O)NCCNC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O4/c27-20(23-14-13-22-18-8-4-5-9-19(18)26(29)30)10-11-21(28)25-15-12-17(24-25)16-6-2-1-3-7-16/h1-9,22H,10-15H2,(H,23,27)